5'-O-tert-Butyldimethylsilyl-2'-deoxy-5-iodouridine - ≥98% , CAS No.134218-81-8

CAS: 134218-81-8 Cat. No.: D710478 Molecular Weight: 468.36 PubChem CID: 10027620

GRADE & PURITY ≥98%

Synonyms

2'-Deoxy-5'-O-TBDMS-5-Iodo-Uridine | 1-((2R,4S,5R)-5-(((tert-Butyldimethylsilyl)oxy)methyl)-4-hydroxytetrahydrofuran-2-yl)-5-iodopyrimidine-2,4(1H,3H)-dione | 5'-O-T-Butyldimethylsilyl 2'-deoxy-5-iodo-uridine

Storage

Protected from light,Store at -20°C,Argon charged,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

2'-Deoxy-5'-O-TBDMS-5-Iodo-Uridine | 1-((2R, 4S, 5R)-5-(((tert-Butyldimethylsilyl)oxy)methyl)-4-hydroxytetrahydrofuran-2-yl)-5-iodopyrimidine-2, 4(1H, 3H)-dione | 5'-O-T-Butyldimethylsilyl 2'-deoxy-5-iodo-uridine

Specifications & Purity

≥98%

Storage

Protected from light, Store at -20°C, Argon charged, Desiccated

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC(C)(C)[Si](C)(C)OCC1C(CC(O1)N2C=C(C(=O)NC2=O)I)O
• IUPAC Name: 1-[(2R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-iodopyrimidine-2,4-dione
• InChIKey: OOAVDWDELLQGHO-QJPTWQEYSA-N
• INCHI: 1S/C15H25IN2O5Si/c1-15(2,3)24(4,5)22-8-11-10(19)6-12(23-11)18-7-9(16)13(20)17-14(18)21/h7,10-12,19H,6,8H2,1-5H3,(H,17,20,21)/t10-,11+,12+/m0/s1
• Isomeric SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)I)O
• Alternate CAS: 134218-81-8
• PubChem CID: 10027620
• Molecular Weight: 468.36

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • Class Pyrimidine nucleosides
      • Subclass Pyrimidine 2'-deoxyribonucleosides

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Class: Pyrimidine nucleosides
• Subclass: Pyrimidine 2'-deoxyribonucleosides
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrimidine 2'-deoxyribonucleosides
• Alternative Parents: Halopyrimidines Pyrimidones Aryl iodides Hydropyrimidines Vinylogous amides Trialkylheterosilanes Tetrahydrofurans Heteroaromatic compounds Ureas Silyl ethers Secondary alcohols Lactams Organic metalloid salts Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organoiodides Organonitrogen compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrimidine 2'-deoxyribonucleoside - Halopyrimidine - Pyrimidone - Aryl halide - Aryl iodide - Hydropyrimidine - Pyrimidine - Trialkylheterosilane - Heteroaromatic compound - Tetrahydrofuran - Vinylogous amide - Lactam - Secondary alcohol - Urea - Silyl ether - Organoheterosilane - Oxacycle - Azacycle - Organic metalloid salt - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organoiodide - Organohalogen compound - Organic oxide - Alcohol - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic salt - Organosilicon compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrimidine 2'-deoxyribonucleosides. These are compounds consisting of a pyrimidine linked to a ribose which lacks a hydroxyl group at position 2.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Light sensitive
• Molecular Weight: 468.360 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 468.058 Da
• Monoisotopic Mass: 468.058 Da
• Topological Polar Surface Area: 88.100 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 561.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

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